2-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c1-8-5-13(19)16-14(15-8)23-7-11(18)9-3-4-12(22-2)10(6-9)17(20)21/h3-6H,7H2,1-2H3,(H,15,16,19)